UniProt P53779
Mitogen-activated protein kinase 10 (P53779)
Mitogen-activated protein kinase 10 (UniProt P53779), EC 2.7.11.24: 107 experimental structures and 1 predicted model on GenesisL1, 13 ligands bound, 1 pocket. Binding sites, druggability and experiment against prediction…
- UniProt
- P53779
- Protein
- Mitogen-activated protein kinase 10
- EC
- 2.7.11.24
- Experimental structures
- 107
- Predicted models
- 1
- Ligands
- 13
- Pockets
- 1 · 1 record with a druggable one
Structures
108 records of P53779 in the MolNFT archive: 107 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1JNK | The C-jun N-terminal kinase (JNK3S) complexed with mgamp-pnp | x-ray diffraction | A | — | — |
| 1JNK | The C-jun N-terminal kinase (JNK3S) complexed with mgamp-pnp | x-ray diffraction | A | — | — |
| 1PMN | Crystal structure of JNK3 in complex with an imidazole-pyrimidine inhibitor | x-ray diffraction | A | — | — |
| 1PMN | Crystal structure of JNK3 in complex with an imidazole-pyrimidine inhibitor | x-ray diffraction | A | — | — |
| 1PMU | The crystal structure of JNK3 in complex with a phenantroline inhibitor | x-ray diffraction | A | — | — |
| 1PMU | The crystal structure of JNK3 in complex with a phenantroline inhibitor | x-ray diffraction | A | — | — |
| 1PMV | The structure of JNK3 in complex with a dihydroanthrapyrazole inhibitor | x-ray diffraction | A | — | — |
| 1PMV | The structure of JNK3 in complex with a dihydroanthrapyrazole inhibitor | x-ray diffraction | A | — | — |
| 2B1P | inhibitor complex of JNK3 | x-ray diffraction | A | — | — |
| 2B1P | Inhibitor complex of JNK3 | x-ray diffraction | A | — | — |
| 2EXC | Inhibitor complex of JNK3 | x-ray diffraction | X | — | — |
| 2EXC | Inhibitor complex of JNK3 | x-ray diffraction | X | — | — |
| 2O0U | Crystal structure of human JNK3 complexed with N-{3-cyano-6-[3-(1-piperidinyl)propanoyl]-4,5,6,7-tet… | x-ray diffraction | A | — | — |
| 2O0U | Crystal structure of human JNK3 complexed with N-{3-cyano-6-[3-(1… | x-ray diffraction | A | — | — |
| 2O2U | Crystal structure of human JNK3 complexed with N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fl… | x-ray diffraction | A | — | — |
| 2O2U | Crystal structure of human JNK3 complexed with N-(3-cyano-4,5,6,7… | x-ray diffraction | A | — | — |
| 2OK1 | Crystal structure of JNK3 bound to N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carb… | x-ray diffraction | A | — | — |
| 2OK1 | Crystal structure of JNK3 bound to N-benzyl-4-(4-(3-chlorophenyl)-1H… | x-ray diffraction | A | — | — |
| 2P33 | Synthesis and SAR of Aminopyrimidines as Novel c-Jun N-Terminal Kinase (JNK) Inhibitors | x-ray diffraction | A | — | — |
| 2P33 | Synthesis and sar of aminopyrimidines as novel C-jun N-terminal kinase (jnk) inhibitors | x-ray diffraction | A | — | — |
| 2R9S | c-Jun N-terminal Kinase 3 with 3,5-Disubstituted Quinoline inhibitor | x-ray diffraction | A, B | — | — |
| 2R9S | C-jun N-terminal kinase 3 with 3,5-disubstituted quinoline inhibitor | x-ray diffraction | A, B | — | — |
| 2WAJ | Crystal structure of human Jnk3 complexed with a 1-aryl-3,4- dihydroisoquinoline inhibitor | x-ray diffraction | A | — | — |
| 2WAJ | Crystal structure of human JNK3 complexed with a 1-aryl-3,4- dihydroisoquinoline inhibitor | x-ray diffraction | A | — | — |
| 2ZDT | Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor | x-ray diffraction | A | — | — |
| 2ZDT | Crystal structure of human JNK3 complexed with an isoquinolone inhibitor | x-ray diffraction | A | — | — |
| 2ZDU | Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor | x-ray diffraction | A | — | — |
| 2ZDU | Crystal structure of human JNK3 complexed with an isoquinolone inhibitor | x-ray diffraction | A | — | — |
| 3CGF | IRAK-4 Inhibitors (Part II)- A structure based assessment of imidazo[1,2 a]pyridine binding | x-ray diffraction | A | — | — |
| 3CGF | Irak-4 inhibitors (part II)- a structure based assessment of IMIDAZO[1,2 A]PYRIDINE binding | x-ray diffraction | A | — | — |
| 3CGO | IRAK-4 Inhibitors (Part II)- A structure based assessment of imidazo[1,2 a]pyridine binding | x-ray diffraction | A | — | — |
| 3CGO | Irak-4 inhibitors (part II)- a structure based assessment of IMIDAZO[1,2 A]PYRIDINE binding | x-ray diffraction | A | — | — |
| 3DA6 | Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyrid… | x-ray diffraction | A | — | — |
| 3DA6 | Crystal structure of human JNK3 complexed with N-(3-methyl-4-(3-(2… | x-ray diffraction | A | — | — |
| 3FI2 | Crystal structure of JNK3 with amino-pyrazole inhibitor, SR-3451 | x-ray diffraction | A | — | — |
| 3FI2 | Crystal structure of JNK3 with amino-pyrazole inhibitor, sr- 3451 | x-ray diffraction | A | — | — |
| 3FI3 | Crystal structure of JNK3 with indazole inhibitor, SR-3737 | x-ray diffraction | A | — | — |
| 3FI3 | Crystal structure of JNK3 with indazole inhibitor, sr-3737 | x-ray diffraction | A | — | — |
| 3FV8 | JNK3 bound to piperazine amide inhibitor, SR2774. | x-ray diffraction | A | — | — |
| 3FV8 | JNK3 bound to piperazine amide inhibitor, SR2774. | x-ray diffraction | A | — | — |
| 3G90 | JNK-3 bound to (Z)-5-fluoro-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)indolin… | x-ray diffraction | X | — | — |
| 3G90 | Jnk-3 bound to (Z)-5-fluoro-1-((6-fluoro-4H-BENZO[D][1,3]DIOXIN-8-yl)… | x-ray diffraction | X | — | — |
| 3G9L | JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-styrylindolin… | x-ray diffraction | X | — | — |
| 3G9L | JNK3 bound to (Z)-1-((6-fluoro-4H-BENZO[D][1,3]DIOXIN-8-YL)METHYL)-3… | x-ray diffraction | X | — | — |
| 3G9N | JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-phenylindolin… | x-ray diffraction | A | — | — |
| 3G9N | JNK3 bound to (Z)-1-((6-fluoro-4H-BENZO[D][1,3]DIOXIN-8-YL)METHYL)-3… | x-ray diffraction | A | — | — |
| 3KVX | JNK3 bound to aminopyrimidine inhibitor, SR-3562 | x-ray diffraction | A | — | — |
| 3KVX | JNK3 bound to aminopyrimidine inhibitor, sr-3562 | x-ray diffraction | A | — | — |
| 3OXI | Design and Synthesis of Disubstituted Thiophene and Thiazole Based Inhibitors of JNK for the… | x-ray diffraction | A | — | — |
| 3OXI | Design and synthesis of disubstituted thiophene and thiazole based inhibitors of jnk for the… | x-ray diffraction | A | — | — |
| 3OY1 | Highly Selective c-Jun N-Terminal Kinase (JNK) 2 and 3 Inhibitors with In Vitro CNS-like… | x-ray diffraction | A | — | — |
| 3OY1 | Highly selective C-jun N-terminal kinase (jnk) 2 and 3 inhibitors with in vitro cns-like… | x-ray diffraction | A | — | — |
| 3PTG | Design and Synthesis of a Novel, Orally Efficacious Tri-substituted Thiophene Based JNK Inhibitor | x-ray diffraction | A | — | — |
| 3PTG | Design and synthesis of a novel, orally efficacious tri-substituted thiophene based jnk inhibitor | x-ray diffraction | A | — | — |
| 3RTP | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic… | x-ray diffraction | A | — | — |
| 3RTP | Design and synthesis of brain penetrant selective jnk inhibitors with improved pharmacokinetic… | x-ray diffraction | A | — | — |
| 3TTI | Crystal Structure of JNK3 complexed with CC-930, an orally active anti-fibrotic JNK inhibitor | x-ray diffraction | A | — | — |
| 3TTI | Crystal structure of JNK3 complexed with cc-930, an orally active anti-fibrotic jnk inhibitor | x-ray diffraction | A | — | — |
| 3TTJ | Crystal Structure of JNK3 complexed with CC-359, a JNK inhibitor for the prevention of… | x-ray diffraction | A | — | — |
| 3TTJ | Crystal structure of JNK3 complexed with cc-359, a jnk inhibitor for the prevention of… | x-ray diffraction | A | — | — |
48 records more on the page itself.
Ligands
- B9K · 4-(4-methyl-2-methylsulfanyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine · in 2 records
- C15 · N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate · in 2 records
- CL · Chloride ion · in 2 records
- X3V · 4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide · in 2 records
- 0EI · 4-(dimethylamino)-N-[(5Z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide · in 1 record
- 0G3 · N-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide · in 1 record
- 86C · 4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1H-pyrazolo[3, 4-b]pyridin-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide · in 1 record
- ACP · Phosphomethylphosphonic acid adenylate ester · in 1 record
- BGE · 4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine · in 1 record
- MG · Magnesium ion · in 1 record
- NA · Sodium ion · in 1 record
- X3S · 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-5-methyl-N-(oxetan-3-yl)thiophene-2-carboxamide · in 1 record
- X3Y · 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide · in 1 record
Experiment against prediction
- 4X21 chain A against the predicted model P53779: TM-score 0.98, RMSD 0.93 Å
- 4X21 chain A against the predicted model P53779: TM-score 0.98, RMSD 0.93 Å
- 3V6S chain B against the predicted model P53779: TM-score 0.98, RMSD 1.05 Å
- 3V6S chain B against the predicted model P53779: TM-score 0.98, RMSD 1.05 Å
- 4X21 chain B against the predicted model P53779: TM-score 0.98, RMSD 1.04 Å
- 4X21 chain B against the predicted model P53779: TM-score 0.98, RMSD 1.04 Å
- 4U79 chain A against the predicted model P53779: TM-score 0.98, RMSD 1.03 Å
- 4U79 chain A against the predicted model P53779: TM-score 0.98, RMSD 1.03 Å
- 3RTP chain A against the predicted model P53779: TM-score 0.98, RMSD 1.02 Å
- 3RTP chain A against the predicted model P53779: TM-score 0.98, RMSD 1.02 Å
Elsewhere
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